| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:56 UTC |
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| Update Date | 2025-03-25 01:02:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O11 |
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| Molecular Mass | 384.0693 |
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| SMILES | O=C(C=Cc1ccc(C(=O)O)c(O)c1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | SZGDLMFLUATWMI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssalicylic acidssecondary alcoholstricarboxylic acids and derivativesvinylogous acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativessalicylic acidcarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivatives1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidhydroxybenzoic acidoxacyclefatty acid estervinylogous acidsalicylic acid or derivativespyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid |
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